SCHEMBL4067290

SCHEMBL4067290

Cc1cc(Cl)ccc1Oc1ccc(NC(=O)c2ccncc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.53
GRM7 Q14831 1/20 0.53
GRM4 Q14833 1/20 0.53
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TNF P01375 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4060811 0.90 GRM8 (0.56) GRM8GRM7GRM4SMN1; SMN2AURKA
SCHEMBL4064115 0.89 GRM8 (0.52) GRM8GRM7GRM4SMN1; SMN2AURKA
SCHEMBL4065169 0.89 RAB9A (0.57) GRM8GRM7GRM4MAPK1SMN1; SMN2
SCHEMBL4069994 0.87 NPC1 (0.54) SMN1; SMN2LMNAALOX15RAB9ANPC1
SCHEMBL27683455 0.85 KCNQ3 (0.52) GRM8GRM7GRM4SMN1; SMN2AURKA
SCHEMBL4058614 0.83 GRM8 (0.53) GRM8GRM7GRM4LMNAPOLB
SCHEMBL4063387 0.83 NPC1 (0.53) GRM8GRM7GRM4SMN1; SMN2RAB9A
SCHEMBL4062244 0.83 PNLIP (0.60) GRM8GRM7GRM4POLBALOX15
SCHEMBL4061697 0.83 GRM8 (0.55) GRM8GRM7GRM4LMNAPOLB
SCHEMBL4062053 0.82 TRPV1 (0.50) GRM8GRM7GRM4SMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed